#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s24 s TYR 2 N 0.00 2.31 0.77 0.00 2.02 -1.26 -5.11 117.35 116.09 1s24 s TYR 2 Ca 0.00 -0.73 -0.09 0.00 -0.37 0.00 0.00 57.07 55.88 1s24 s TYR 2 Cb 0.00 -1.53 0.10 0.00 -0.40 0.00 0.00 41.96 40.13 1s24 s TYR 2 CO 0.00 -0.24 1.10 -0.51 -1.57 0.00 0.00 175.55 174.33 1s24 s LEU 3 N -0.03 2.76 -0.03 -1.29 1.02 -1.26 -4.88 118.68 114.96 1s24 s LEU 3 Ca -0.06 0.39 0.00 0.00 0.02 0.00 0.00 54.13 54.48 1s24 s LEU 3 Cb -0.14 -2.86 0.03 0.00 0.02 0.00 0.00 46.19 43.23 1s24 s LEU 3 CO 0.04 -1.90 0.00 -0.54 0.02 0.00 0.00 176.35 173.98 1s24 s LYS 4 N -5.42 0.25 0.57 1.70 1.02 -1.26 -2.90 119.74 113.70 1s24 s LYS 4 Ca 0.64 0.08 0.06 0.00 0.02 0.00 0.00 55.97 56.77 1s24 s LYS 4 Cb -0.09 -0.44 0.05 0.00 -0.52 0.00 0.00 37.83 36.83 1s24 s LYS 4 CO 0.47 -0.13 0.46 -1.58 -0.92 0.00 0.00 175.35 173.65 1s24 s TRP 5 N 0.99 1.43 -0.24 3.18 0.52 -0.81 -1.42 118.94 122.59 1s24 s TRP 5 Ca -0.10 -0.88 -0.13 0.00 0.02 0.00 0.00 56.10 55.01 1s24 s TRP 5 Cb -0.13 -1.91 0.07 0.00 -1.15 0.00 0.00 33.47 30.35 1s24 s TRP 5 CO -0.02 -0.62 0.58 -1.50 0.02 0.00 0.00 176.95 175.41 1s24 s ILE 6 N -2.80 -0.04 -0.78 2.03 1.10 0.12 0.39 121.20 121.23 1s24 s ILE 6 Ca 0.35 0.04 -0.26 0.00 -0.51 0.00 0.00 60.65 60.27 1s24 s ILE 6 Cb -0.03 -0.84 0.03 0.00 0.15 0.00 0.00 42.46 41.77 1s24 s ILE 6 CO 0.22 0.02 1.35 0.00 -2.11 0.00 0.00 174.94 174.42 1s24 h ILE 8 N 6.21 0.03 0.00 0.00 2.10 -1.41 1.26 117.51 125.71 1s24 h ILE 8 Ca -0.20 0.00 -0.12 0.00 1.08 0.00 0.00 64.86 65.62 1s24 h ILE 8 Cb 1.05 0.80 -0.02 0.00 -1.09 0.00 0.00 36.82 37.56 1s24 h ILE 8 CO 1.30 0.00 -0.58 0.74 -1.08 0.00 0.00 178.15 178.53 1s24 h THR 9 N 0.00 1.15 0.00 2.19 2.02 -1.88 -3.40 112.91 112.99 1s24 h THR 9 Ca 0.01 -2.19 0.00 0.00 0.77 0.00 0.00 66.41 65.00 1s24 h THR 9 Cb 0.42 2.28 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 1s24 h THR 9 CO -0.00 0.57 -0.91 0.00 0.37 0.00 0.00 175.52 175.55 1s24 n GLY 11 N 3.00 1.65 3.58 0.00 0.00 0.40 -5.02 105.19 108.80 1s24 n GLY 11 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1s24 n GLY 11 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1s24 s HIS 12 N -2.00 3.22 0.09 1.61 5.65 -1.26 -4.84 115.29 117.76 1s24 s HIS 12 Ca 0.00 0.10 -0.28 0.00 0.25 0.00 0.00 55.06 55.13 1s24 s HIS 12 Cb 0.00 -2.37 -0.06 0.00 -1.18 0.00 0.00 32.58 28.97 1s24 s HIS 12 CO 0.00 -0.16 0.88 0.42 -0.65 0.00 0.00 174.74 175.23 1s24 s ILE 13 N 1.74 4.58 -0.19 0.89 1.01 -1.26 -2.12 121.20 125.85 1s24 s ILE 13 Ca 0.07 1.89 -0.17 0.00 0.00 0.00 0.00 60.65 62.44 1s24 s ILE 13 Cb -0.16 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 1s24 s ILE 13 CO 0.10 0.35 0.46 -0.47 0.00 0.00 0.00 174.94 175.38 1s24 s TYR 14 N -0.08 3.40 -0.50 3.97 5.04 0.16 -4.90 117.35 124.44 1s24 s TYR 14 Ca 0.43 0.72 -0.16 0.00 -2.44 0.00 0.00 57.07 55.62 1s24 s TYR 14 Cb -0.22 -2.58 0.09 0.00 0.35 0.00 0.00 41.96 39.59 1s24 s TYR 14 CO 0.27 -0.01 0.45 0.34 -1.34 0.00 0.00 175.55 175.27 1s24 s ASP 15 N 1.00 6.17 0.60 4.32 2.15 -1.26 -1.93 116.67 127.72 1s24 s ASP 15 Ca 0.22 -1.43 0.28 0.00 0.43 0.00 0.00 52.55 52.05 1s24 s ASP 15 Cb -0.15 -2.20 1.34 0.00 -0.30 0.00 0.00 42.92 41.61 1s24 s ASP 15 CO 0.09 -0.74 1.75 -0.33 -0.17 0.00 0.00 175.17 175.77 1s24 h GLU 16 N 8.83 0.00 -0.75 4.34 5.08 -1.73 1.02 114.58 131.36 1s24 h GLU 16 Ca -0.29 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.97 1s24 h GLU 16 Cb 1.11 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.29 1s24 h GLU 16 CO 0.94 0.00 0.13 0.00 -1.00 0.00 0.00 179.01 179.08 1s24 n ALA 17 N -2.25 3.94 -2.67 3.43 0.00 -1.26 -0.72 120.51 120.98 1s24 n ALA 17 Ca 0.10 -1.71 -0.04 0.00 0.00 0.00 0.00 53.44 51.79 1s24 n ALA 17 Cb 0.83 -1.17 0.09 0.00 0.00 0.00 0.00 19.45 19.20 1s24 n ALA 17 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1s24 n LEU 18 N 0.17 -1.32 0.00 0.00 -0.00 0.35 -4.48 117.00 111.72 1s24 n LEU 18 Ca 0.28 -1.87 0.00 0.00 -0.00 0.00 0.00 56.01 54.42 1s24 n LEU 18 Cb 1.11 0.72 0.00 0.00 -0.00 0.00 0.00 43.42 45.25 1s24 n LEU 18 CO 0.31 1.60 0.00 0.61 -0.00 0.00 0.00 177.39 179.91 1s24 n GLY 19 N 1.13 -0.28 3.96 -3.96 0.00 -1.16 -4.37 105.19 100.51 1s24 n GLY 19 Ca -0.01 -1.21 -0.20 0.00 0.00 0.00 0.00 46.02 44.60 1s24 n GLY 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s24 s ASP 20 N -1.26 5.20 -0.06 1.61 1.11 -1.25 -4.99 116.67 117.03 1s24 s ASP 20 Ca 0.00 -0.74 0.15 0.00 0.18 0.00 0.00 52.55 52.14 1s24 s ASP 20 Cb 0.00 -0.25 -0.22 0.00 1.07 0.00 0.00 42.92 43.51 1s24 s ASP 20 CO 0.00 -0.92 0.25 1.21 1.18 0.00 0.00 175.17 176.89 1s24 n GLU 21 N -1.84 0.86 0.04 8.23 0.00 -1.26 -2.73 120.64 123.94 1s24 n GLU 21 Ca 0.07 -0.10 -0.06 0.00 0.00 0.00 0.00 57.16 57.07 1s24 n GLU 21 Cb 0.61 -1.37 -0.11 0.00 0.00 0.00 0.00 31.44 30.56 1s24 n GLU 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1s24 h ALA 22 N 1.20 0.50 -0.25 4.31 0.00 -1.96 -3.26 119.26 119.80 1s24 h ALA 22 Ca -0.13 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.75 1s24 h ALA 22 Cb 1.12 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1s24 h ALA 22 CO 0.01 1.28 0.00 0.39 0.00 0.00 0.00 179.25 180.92 1s24 n GLU 23 N -3.24 1.97 -2.25 0.00 1.02 -1.26 -4.86 120.64 112.02 1s24 n GLU 23 Ca -0.05 -1.07 -0.20 0.00 -0.02 0.00 0.00 57.16 55.82 1s24 n GLU 23 Cb 0.95 -1.45 -0.02 0.00 -0.02 0.00 0.00 31.44 30.90 1s24 n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s24 n GLY 24 N 0.66 -0.08 3.44 0.62 0.00 -1.23 -4.88 105.19 103.72 1s24 n GLY 24 Ca 0.10 -0.04 -0.44 0.00 0.00 0.00 0.00 46.02 45.64 1s24 n GLY 24 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1s24 n PHE 25 N -3.76 4.72 -1.30 1.61 3.01 -1.11 -5.00 117.46 115.64 1s24 n PHE 25 Ca -0.23 -3.18 -0.34 0.00 1.01 0.00 0.00 57.45 54.71 1s24 n PHE 25 Cb 0.68 -2.30 0.11 0.00 -0.01 0.00 0.00 39.48 37.96 1s24 n PHE 25 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1s24 s THR 26 N 2.23 2.10 0.01 4.37 -1.32 -1.26 -3.83 115.64 117.94 1s24 s THR 26 Ca 0.46 0.05 -0.30 0.00 -1.21 0.00 0.00 61.69 60.69 1s24 s THR 26 Cb 0.00 -2.59 -0.08 0.00 -1.51 0.00 0.00 72.50 68.32 1s24 s THR 26 CO 0.02 -0.03 1.96 -2.84 -2.21 0.00 0.00 174.62 171.53 1s24 s PRO 27 N -3.95 4.07 0.00 7.08 0.02 -1.26 -3.45 135.00 137.51 1s24 s PRO 27 Ca 0.75 2.54 0.00 0.00 0.02 0.00 0.00 61.00 64.31 1s24 s PRO 27 Cb -0.30 -4.17 0.00 0.00 0.02 0.00 0.00 34.50 30.05 1s24 s PRO 27 CO 0.47 -1.03 0.00 0.41 -0.33 0.00 0.00 177.00 176.52 1s24 n GLY 28 N 4.60 1.17 3.37 0.52 0.00 -0.82 -4.94 105.19 109.09 1s24 n GLY 28 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1s24 n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s24 s THR 29 N -2.00 2.97 -0.04 2.61 2.01 0.10 -4.99 115.64 116.30 1s24 s THR 29 Ca 0.00 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.31 1s24 s THR 29 Cb 0.00 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 1s24 s THR 29 CO 0.00 0.53 -0.02 -0.60 -0.69 0.00 0.00 174.62 173.84 1s24 s ARG 30 N 0.26 2.81 0.27 4.92 3.52 -1.26 -4.39 118.95 125.08 1s24 s ARG 30 Ca -0.10 -0.55 0.01 0.00 -0.13 0.00 0.00 55.73 54.96 1s24 s ARG 30 Cb -0.16 -2.67 0.63 0.00 -1.56 0.00 0.00 34.95 31.20 1s24 s ARG 30 CO 0.06 0.66 1.69 0.35 -0.81 0.00 0.00 175.30 177.24 1s24 h PHE 31 N 4.82 0.50 -0.14 5.12 3.57 -1.95 1.17 116.94 130.02 1s24 h PHE 31 Ca -0.49 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.09 1s24 h PHE 31 Cb 1.18 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 1s24 h PHE 31 CO 0.60 -0.07 0.29 1.49 -2.23 0.00 0.00 178.31 178.40 1s24 h GLU 32 N 0.35 0.00 -0.45 1.11 4.81 -2.04 0.43 114.58 118.79 1s24 h GLU 32 Ca 0.51 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.67 1s24 h GLU 32 Cb 0.94 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.27 1s24 h GLU 32 CO -0.53 0.00 0.06 -0.25 -0.73 0.00 0.00 179.01 177.56 1s24 n ASP 33 N -3.32 4.33 -3.45 1.04 9.92 0.40 -4.71 116.55 120.76 1s24 n ASP 33 Ca 0.01 -3.14 -0.27 0.00 -0.53 0.00 0.00 54.79 50.86 1s24 n ASP 33 Cb 0.39 -0.63 -0.08 0.00 -0.64 0.00 0.00 41.12 40.16 1s24 n ASP 33 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1s24 n ILE 34 N -0.28 2.32 1.10 0.53 5.41 0.15 -4.82 119.36 123.78 1s24 n ILE 34 Ca 0.29 -5.20 0.03 0.00 1.00 0.00 0.00 62.75 58.86 1s24 n ILE 34 Cb 1.09 -2.10 0.09 0.00 -0.71 0.00 0.00 39.64 38.01 1s24 n ILE 34 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1s24 n PRO 35 N 0.91 1.62 -0.70 0.38 -0.04 -1.26 -4.12 135.00 131.80 1s24 n PRO 35 Ca 0.29 -0.72 -0.14 0.00 -0.04 0.00 0.00 63.50 62.90 1s24 n PRO 35 Cb 0.41 -1.33 0.10 0.00 -0.04 0.00 0.00 33.50 32.64 1s24 n PRO 35 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1s24 n ASP 36 N 0.09 3.50 -3.91 3.54 8.00 -1.26 -4.86 116.55 121.64 1s24 n ASP 36 Ca 0.07 -2.91 -0.28 0.00 0.71 0.00 0.00 54.79 52.37 1s24 n ASP 36 Cb 0.27 -0.70 0.01 0.00 -0.02 0.00 0.00 41.12 40.68 1s24 n ASP 36 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1s24 n ASP 37 N -0.42 -2.71 -4.53 -2.24 2.03 -1.26 -4.87 116.55 102.55 1s24 n ASP 37 Ca 0.34 -0.87 -0.37 0.00 0.52 0.00 0.00 54.79 54.41 1s24 n ASP 37 Cb 1.15 -3.60 0.06 0.00 -0.72 0.00 0.00 41.12 38.01 1s24 n ASP 37 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 1s24 n TRP 38 N -4.48 -0.10 -3.93 -0.67 -0.00 -1.26 -5.00 117.44 102.01 1s24 n TRP 38 Ca -0.12 0.41 0.00 0.00 -0.00 0.00 0.00 57.50 57.79 1s24 n TRP 38 Cb 0.59 -2.01 0.00 0.00 -0.00 0.00 0.00 31.31 29.89 1s24 n TRP 38 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1s24 h PRO 41 N -0.38 0.40 -0.86 0.00 0.11 -2.00 -3.37 132.00 125.91 1s24 h PRO 41 Ca -0.45 -0.16 -0.34 0.00 0.11 0.00 0.00 66.00 65.16 1s24 h PRO 41 Cb 1.23 -0.02 -0.27 0.00 0.11 0.00 0.00 31.00 32.05 1s24 h PRO 41 CO 0.62 0.66 -0.80 -0.25 -0.21 0.00 0.00 178.00 178.03 1s24 n ASP 42 N -4.10 -0.68 0.09 -2.05 9.92 -1.26 -4.96 116.55 113.52 1s24 n ASP 42 Ca -0.01 -3.18 0.00 0.00 -0.53 0.00 0.00 54.79 51.07 1s24 n ASP 42 Cb 0.42 0.59 0.00 0.00 -0.64 0.00 0.00 41.12 41.49 1s24 n ASP 42 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1s24 n GLY 44 N 1.26 0.92 3.61 0.00 0.00 -1.26 -5.00 105.19 104.73 1s24 n GLY 44 Ca 0.00 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 1s24 n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s24 s ALA 45 N -2.41 3.16 0.49 4.61 0.00 -1.26 -4.98 121.76 121.37 1s24 s ALA 45 Ca 0.00 -2.04 -0.00 0.00 0.00 0.00 0.00 51.96 49.92 1s24 s ALA 45 Cb 0.00 0.23 0.04 0.00 0.00 0.00 0.00 23.12 23.39 1s24 s ALA 45 CO 0.00 -0.14 0.26 0.25 0.00 0.00 0.00 175.76 176.13 1s24 n THR 46 N -0.96 0.00 0.23 0.00 -2.24 -1.26 -4.10 114.28 105.95 1s24 n THR 46 Ca -0.06 -0.40 0.13 0.00 -2.27 0.00 0.00 64.05 61.45 1s24 n THR 46 Cb 0.67 -1.27 0.67 0.00 -2.10 0.00 0.00 70.33 68.30 1s24 n THR 46 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1s24 h LYS 47 N 0.00 0.00 -0.94 -0.78 6.56 -1.91 -2.60 116.57 116.90 1s24 h LYS 47 Ca -0.09 0.00 0.13 0.00 -1.06 0.00 0.00 60.65 59.63 1s24 h LYS 47 Cb 0.32 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 31.90 1s24 h LYS 47 CO 0.09 0.00 0.60 1.49 -2.06 0.00 0.00 179.45 179.57 1s24 h GLU 48 N 0.00 0.81 0.00 3.15 4.81 -1.98 0.21 114.58 121.58 1s24 h GLU 48 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1s24 h GLU 48 Cb 0.09 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1s24 h GLU 48 CO 0.00 0.54 0.00 -0.44 -0.73 0.00 0.00 179.01 178.38 1s24 h ASP 49 N 0.83 0.00 -3.31 1.04 5.19 -1.83 -3.43 116.42 114.91 1s24 h ASP 49 Ca 0.47 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 56.29 1s24 h ASP 49 Cb 0.60 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 40.01 1s24 h ASP 49 CO -0.23 0.00 -0.29 -0.31 -3.12 0.00 0.00 179.24 175.29 1s24 s TYR 50 N -3.35 3.47 0.39 4.55 2.02 0.75 -0.96 117.35 124.21 1s24 s TYR 50 Ca 0.05 0.65 0.04 0.00 -0.37 0.00 0.00 57.07 57.44 1s24 s TYR 50 Cb 0.07 -2.39 -0.05 0.00 -0.40 0.00 0.00 41.96 39.19 1s24 s TYR 50 CO 0.61 0.21 0.05 0.14 -1.57 0.00 0.00 175.55 175.00 1s24 s VAL 51 N 0.54 1.24 -0.30 0.71 -7.23 -0.24 -4.88 120.40 110.24 1s24 s VAL 51 Ca 0.18 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.06 1s24 s VAL 51 Cb -0.13 -2.66 0.01 0.00 0.56 0.00 0.00 36.38 34.16 1s24 s VAL 51 CO 0.05 0.00 1.13 -0.22 -0.31 0.00 0.00 175.10 175.75 1s24 s LEU 52 N -3.61 3.95 0.30 1.32 1.98 -1.26 -0.70 118.68 120.66 1s24 s LEU 52 Ca 0.29 1.14 -0.29 0.00 -2.89 0.00 0.00 54.13 52.39 1s24 s LEU 52 Cb 0.07 -3.54 -0.10 0.00 0.66 0.00 0.00 46.19 43.28 1s24 s LEU 52 CO 0.14 -0.90 1.23 -0.47 -1.89 0.00 0.00 176.35 174.46 1s24 s TYR 53 N 3.76 3.26 -0.14 5.38 5.04 -0.51 -4.31 117.35 129.84 1s24 s TYR 53 Ca 0.48 1.51 -0.01 0.00 -2.44 0.00 0.00 57.07 56.61 1s24 s TYR 53 Cb -0.14 -3.53 0.00 0.00 0.35 0.00 0.00 41.96 38.65 1s24 s TYR 53 CO 0.16 -1.37 0.02 -1.91 -1.34 0.00 0.00 175.55 171.12 1s24 n GLU 54 N 1.04 -2.05 -1.60 4.97 0.00 -1.26 -4.68 120.64 117.05 1s24 n GLU 54 Ca -0.00 1.87 -0.46 0.00 0.00 0.00 0.00 57.16 58.57 1s24 n GLU 54 Cb 0.43 -3.07 -0.04 0.00 0.00 0.00 0.00 31.44 28.76 1s24 n GLU 54 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1s24 n GLU 55 N 1.24 2.01 -0.34 5.31 4.07 -1.26 -5.08 120.64 126.59 1s24 n GLU 55 Ca -0.04 0.65 0.00 0.00 -0.06 0.00 0.00 57.16 57.71 1s24 n GLU 55 Cb 0.27 -2.91 0.00 0.00 -0.06 0.00 0.00 31.44 28.74 1s24 n GLU 55 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24